Information card for entry 7056749

Structure parameters

• Formula: C60 H58 F6 N7 P
• Calculated formula: C60 H58 F6.006 N7 P
• Title of publication: Remarkably selective NH4+ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing
• Authors of publication: Jonah, Tosin M.; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.; Kavallieratos, Konstantinos
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• a: 14.7935 ± 0.0005 Å
• b: 14.7935 ± 0.0005 Å
• c: 42.5752 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8069.2 ± 0.5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No